1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine

C13H20ClN3O — CID 62297186

IUPAC1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCCN2CCCC2)ccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-15-10-12-11(14)4-5-13(16-12)18-9-8-17-6-2-3-7-17/h4-5,15H,2-3,6-10H2,1H3
InChIKeyDFOGGAZMHJNJAH-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.93
Rot. Bonds6

About 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62297186) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62297186
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(OCCN2CCCC2)ccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-15-10-12-11(14)4-5-13(16-12)18-9-8-17-6-2-3-7-17/h4-5,15H,2-3,6-10H2,1H3
InChIKeyDFOGGAZMHJNJAH-UHFFFAOYSA-N
XLogP1.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459
N-methyl-6-(2-pyrrolidin-1-ylethoxy)pyridin-2-amine
CID 80870610
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 55066112
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
CID 114928248
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928249
N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297868
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine (CID 62297186) is 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(OCCN2CCCC2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is DFOGGAZMHJNJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-15-10-12-11(14)4-5-13(16-12)18-9-8-17-6-2-3-7-17/h4-5,15H,2-3,6-10H2,1H3.
What are the key properties of 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 269.78 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62297186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).